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[SC2 Jobs] Scientist for the development of VASP

By | SC2 jobs

Job Description

The Vienna ab-initio Simulation Package (VASP) group seeks one scientist for the development of the software package VASP . VASP is a de facto standard for the simulation of condensed matter systems using the Schroedinger equation. A very exciting and lively working environment with many collaborative research projects involving theory as well as experimental groups is offered. The work will cover VASP software maintenance and support, optimization of the existing codes for latest high performance computer architectures (e.g. Intel Xeon, Nvidia GPU), cutting edge theory developments as enumerated below, as well as co-development of workflow tools (ASE, AiiDA, pymatgen, etc.)


  • PhD in physics or chemistry
  • Excellent record in any area of computational solid state physics or chemistry. The areas of expertise can include – but are not restricted to – density functional theory, many-body Green’s function techniques, quantum field theoretical methods, quantum chemistry methods, or modeling of condensed matter systems.
  • Candidates with proven expertise in developing new computational methods and adapting them to high performance computers will be given preference.
  • Prior knowledge of VASP is advantageously but not strictly required.


Vienna, Austria

To apply:

i) CV including full academic record,
ii) list of publications and talks including two reprints representative of previous research,
iii) expression of interest concerning research area(s) and previous expertise (one page).

Applications need to be sent to georg.kresse_at_univie.ac.at (topic: Scientific software developer).

Selection of candidates will start immediately and continue until the  positions are filled. The contract will be for one year initially, with the  possibility for a permanent contract after positive evaluation.


The VASP team

[SC2 Jobs] Paid summer internship with ARC-TS and Science Gateways Community Institute

By | SC2 jobs

Hands-on work experiences for undergraduate and graduate students

The Science Gateways Community Institute (SGCI) Workforce Development team is looking for a summer intern interested in developing their gateway development skills. Eligible applicants include graduate students majoring in computer science or computer engineering (or related fields) at any level and undergraduates majoring in computer science or computer engineering (or related fields) who have completed their junior year and who demonstrate strong programming and software engineering skills.

Location: University of Michigan at ARC-TS offices (Central Campus)
Stipend: $500/week
Contact: Brock Palen at brockp@umich.edu ASAP

Interns will be required to attend the Gateways 2018 conference, for which SGCI Workforce Development will provide funding. Attending PEARC18 is recommended, but not required. Funding will be provided by SGCI Workforce Development to interns who decide to attend.

More information at sciencegateways.org/engage/internships *Note that even though the website says the application window is closed, ARC-TS still has a position opened.

2016-2017 MICDE Research Snapshot

By | Research

2016-2017 has been a year of sustained growth for MICDE’s research portfolio. The number of faculty affiliated with the institute stands at 130, spanning 30 departments and eight schools and colleges. The Center for Scientific Software Infrastructure was established to bring together the U-M community engaged in developing open scientific software. It will focus on establishing best practices for developing, disseminating and documenting scientific software in the public domain. Led by Prof. Emanuel Gull (Physics), the Center aims to provide training and support for researchers that are ready to transform their research codes into well-engineered software. It offers grant support in the form of programmers, consultants, and administrative assistance. It includes a portal to share your code with the research community at large.

MICDE’s two established centers, the Center for Network and Storage-Enabled Collaborative Computational Science (CNSECCS) and the Center for Data-Driven Computational Physics (DaCoP), each held their first symposium, showcasing their first year of research activities. This included evidence of the growing reach of OSiRIS, the open framework for storage, computation and collaboration against big scientific data, and the first results from ConFlux, U-M’s groundbreaking computing cluster for data-driven computational physics. These results have been presented at several conferences, and are appearing in the leading computational journals.

Vorticity field at a late time in the evolution of an elliptic vortex patch computed by a Lagrangian particle method with remeshing and treecode-accelerated evaluation of the Biot-Savart integral. (source: Ling Xu)

MICDE also funded its first round of Catalyst Grants, that are supporting four innovative computational science research projects. Research funded by the Catalyst Grants is breaking new ground, while helping define the future of computational science. This research consists of:

  • studies of the neuronal dynamics of learning and memory formation;
  • new algorithms for the complex, nonlinear dynamics of power grids;
  • novel integral equations methods using recent advances in numerical analysis;  
  • and probabilistic computational frameworks for rare but often catastrophic events.

The past academic year MICDE hosted 14 external speakers with backgrounds and research concentrations that span the breadth of computational science of today and the future. The series culminated in MICDE’s annual symposium: “The New Era of Data-Enabled Computational Science,” which featured talks by worldwide leaders in computational science, including U-M faculty. The symposium included a student poster competition with over 50 entries.

Dr. Ann Almgren from the Lawrence Livermore National Lab speaking about Next Generation AMR, part of the 2016-2017 MICDE Seminar Series

MICDE faculty are committed to growing the already strong U-M community of computational scientists. Over the past year, as before, we have organized a number of workshops to foster collaboration and put together interdisciplinary teams in response to funding calls from federal agencies and foundations.   MICDE offers faculty teams institutional support and direct links to our excellent educational programs as well as cyberinfrastructure, all of which strengthen faculty proposals. With the backing of our parent unit, Advanced Research Computing (ARC), and its technical and consulting services (ARC-Technology Services, and Consulting for Statistics, Computing and Analytics Research), this effort has raised over $22M in external funding over the past 2 years. This includes support from federal agencies (NSF, NIH, and DOD), as well as from industry.  We also work with the academic units at U-M to identify compelling new areas for recruiting the type of faculty members who will drive computational science in the future.


2016-2017 Education Snapshot

By | Educational, General Interest, News

Over the past year, MICDE’s educational programs and activities have experienced tremendous growth. The Graduate Certificate in Computational Discovery and Engineering currently has 50 students enrolled, spanning 19 departments from 5 different schools and colleges. Sixteen students graduated within the last academic year, and 44 have graduated since the Graduate Certificate was established in 2013. Even further, the number of women in the program went from zero in 2014 to 15 currently enrolled.

The Ph.D. in Scientific Computing has experienced extraordinary growth, with 74 students enrolled from 20 departments, and four schools or colleges. We added a section to our web site with both programs’ alumni information.

We are working to broaden as well as to deepen the activities and resources available to students in both programs. Twenty MICDE fellowships were awarded this academic year to students in our programs. We continued to sponsor student software teams at competitions, as well as individual students presenting their work at leading conferences. On-campus, MICDE student activities include networking lunches, and the Scientific Computing Student Club (SC2). On the programmatic front, our non-engineering students now have access to a CAEN account that gives them more options to connect and use U-M High Performance Computing resources. Relevant grant opportunities for students are tracked and updated in MICDE’s grant webpage

2016-2017 MICDE Fellow Yuxi Chen (ClaSp) presenting his work at the MICDE Annual Symposium

Several educational projects and initiatives are afoot at MICDE, including a Massively Open Online Class (MOOC) in Computational Thinking targeting both high school students and their teachers. This MOOC aims to introduce learners to algorithmic approaches to problems. This initiative is being developed in collaboration with the School of Education, the office of Academic Innovation, and with input from a number of high schools in the Detroit Metropolitan Area.The two new courses launched by MICDE faculty last year, Methods and Practices of Scientific Computing, and Data-Driven Analysis and Modeling of Complex Systems, were successful in their first offerings during the 2016-2017 academic year, and are being offered again in 2017-2018. Other teams of MICDE faculty are at work across campus to develop new courses in computational science.

2016-2017 Outreach and Industrial Engagement Snapshot

By | General Interest

2017 miRcore’s GIDAS Biotechnology Summer Camp participants

Community Outreach

MICDE remains committed to advancing the understanding of science in general, and computational science in particular, in the community. To this end we have continued our support of internal and external organizations. Externally, our ongoing support of the non profit science outreach group, miRcore, included running MICDE sponsored compute cycles on Flux for high school students participating in miRcore’s computational biology summer camps through their student network called GIDAS. We also continued to support the undergraduate Biosoftware Team that has competed in the International Genetically Engineered Machine (iGEM) year competition for the past five years. The team participates in the software track aimed for computer scientists and developers to nurture their knowledge of biology, and for computational biologists, bioinformaticians and biologists to enhance their aptitude for building software. Over the past couple of years, the team has been developing ProtoCat, a software developed to address the issue of reproducibility in synthetic biology. It is a collaborative platform on which researchers share their experiment protocols and users can customize them to meet their own needs. For the third year in a row, the team returned with a gold medal.

2017 BioSoftware Team

Internally, less than two years since its inception, the Scientific Computing Student Club (SC2) has established several activities that complement the formal training in computational science available at U-M, including through MICDE’s PhD in Scientific Computing, and Graduate Certificate in Computational Discovery and Engineering. Over the past year, the SC2 had his own invited speakers, organized tours to the Flux facility and the U-M 3D Lab, organized the first Visualization Challenge, co-sponsored by NVIDIA, and just recently added a section on its web page for academic and non-academic job opportunities. During the 2017 Fall Term, SC2 students ran a weekly Machine Learning Collaborative Workshop, and the group is planning a hands-on series on code parallelization.

Industrial Engagement

We continue working towards increasing our engagement with industry. Over the last two years, in addition to NVIDIA, MICDE has established partnerships with IBM, through the joint design and development of our computer cluster, ConFlux, and with Toyota Research Institute, through a funded project on scientific software for materials research. We are now working in partnership with the U-M Business Engagement Center to create an MICDE industrial affiliates program, which will provide many additional avenues for interaction between our students or faculty and industry.




The University of Michigan is live on IBM.com

By | News, Research

IBM is showcasing the current research developed with ConFlux, our ground-breaking cluster that uses IBM’s HPC and storage technology to enable scientists to draw on huge volumes of bid data and use machine learning to create reliable models for compute-intensive research.

“ With IBM hardware boosting our HPC environment, we can offer scientists the tools to conduct research that could revolutionize entire industries. ”
Todd Raeker, Research Technology Consultant for the University of Michigan.

To learn more please visit http://www-03.ibm.com/software/businesscasestudies/us/en/corp?synkey=A323848E50678F66


NVIDIA Grad Fellowship applications are open for the 2018-2019 academic year

By | Educational, Funding Opportunities


NVIDIA just launched their 17th Annual Graduate Fellowship Program for the 2018-2019 academic year, which advances the frontiers of science by awarding grants and providing technical support to graduate students who are doing outstanding GPU-based research. If you are or know of a student that uses ConFlux, please encourage them to apply as very few people have access to the types of GPUS available on Conflux, which might make their application more competitive.

This year they are especially seeking doctoral students pushing the envelope in AI, deep neural networks, autonomous vehicles, and related fields. NVIDIA’s Graduate Fellowship awards are now up to $50,000 per student. These grants will be awarded in the 2018-2019 academic year.

Since its inception in 2002, the NVIDIA Graduate Fellowship Program has awarded over 140 Ph.D. graduate students with grants that have helped accelerate their research efforts. More importantly, this funding has helped some students achieve major breakthroughs in their research – breakthroughs that may not have been possible without additional funding.

The NVIDIA Graduate Fellowship Program is open to applicants worldwide. There is a new submission portal, and the deadlines for submissions are Dec. 13, 2017 (nomination letters) and Dec. 15, 2017 (applications). Students should be sure to start their application process early, as they use the portal to request their nomination letters in advance.

Eligible graduate students will have already completed their first year of Ph.D. level studies in the areas of computer science, computer engineering, system architecture, electrical engineering, or a related area. In addition, applicants must also be engaged in active research as part of their thesis work.

For more information on eligibility and how to apply, visit http://research.nvidia.com/graduate-fellowships or email fellowship@nvidia.com.

Faculty search in Computational Science at U-M

By | Uncategorized

MICDE is pleased to bring to your attention a faculty search in Computational Science at University of Michigan. This position will be filled within the Mechanical Engineering Department, but the search will be carried out with the active engagement of MICDE. We expect that the successful candidate will be a highly visible affiliate of MICDE, and will leverage its resources.

We are interested in candidates of any rank, who can bring advances in computer science, data-driven modeling and/or mathematics to bear upon the most compelling questions in engineering science. MICDE strives to define future paradigms of computational science, in collaboration with traditional disciplines in engineering and science. This is the environment that a successful candidate will have to develop a career.

All applicants should submit, in PDF format:
(1) a detailed resume,
(2) a statement of research and teaching interests,
(3) up to three representative publications, and
(4) the names and contact information of at least three references.

Applications must be submitted electronically at http://me.engin.umich.edu/facultysearch.

The University of Michigan is a non-discriminatory/affirmative action employer and is responsive to the needs of dual career families.

For more information please visit https://me.engin.umich.edu/about/positions/faculty.

Computational Science around U-M: Ph.D. Candidate Shannon Moran (Chemical Engineering) has won an ACM SIGHPC Intel Fellowship

By | Happenings, HPC, Uncategorized

Moran_HighRes_SqShannon Moran, a Ph.D. Candidate in the department of Chemical Engineering, has won a 2017 SIGHPC Intel Fellowship. Shannon is a member of the Glotzer Group. They use computer simulation to discover the fundamental principles of how nanoscale systems of building blocks self-assemble, and to discover how to control the assembly process to engineer new materials.

ACM’s Special Interest Group on High Performance Computing is an international group with a major professional society that is devoted to the needs of students, faculty, researchers and practitioners in high performance computing. This year they awarded 12 fellowships around the country with the aim of increasing the diversity of students pursuing graduate degrees in data science and computational science, including women as well as students from racial/ethnic backgrounds that have been historically underrepresented in the computing field. The fellowship provides $15,000 annually for study anywhere in the world.

The fellowship is funded by Intel and is presented at the annual Super Computing conference that this year will take place in November 13-16 in Denver, Colorado.

MICDE sponsored miRcore Biotechnology Summer Camp for the second year in a row

By | Happenings, HPC, Uncategorized

miRcoreBioTec2017This year’s miRcore’s Biotechnology summer camp was a big success.  The participants had hands-on experience in a wet-lab, and with the UNIX command line while accessing U-M’s High Performance Computing cluster, Flux, in a research setting. For the second year in a row MICDE and ARC-ts sponsored the campers to access Flux as they learned the steps that are needed to run code in a computer cluster. The camp also combined theoretical thermodynamic practices that gave participants an overall research experience in nucleotide biotechnology.

miRcore’s camps are designed to expose high school students to career opportunities in biomedicine and to provide research opportunities beyond the classroom setting. For more information please visit http://www.mircore.org/summer-camps/.